1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol

C14H20O3 — CID 117345071

IUPAC1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H20O3/c1-10(15)8-11-6-4-5-7-12(11)13-9-16-14(2,3)17-13/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyJOALSRCTGGEONC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.43
Rot. Bonds3

About 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol

1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol (PubChem CID 117345071) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
PubChem CID117345071
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccccc1C1COC(C)(C)O1
InChIInChI=1S/C14H20O3/c1-10(15)8-11-6-4-5-7-12(11)13-9-16-14(2,3)17-13/h4-7,10,13,15H,8-9H2,1-3H3
InChIKeyJOALSRCTGGEONC-UHFFFAOYSA-N
XLogP2.43
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol (CID 117345071) is 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol is CC(O)Cc1ccccc1C1COC(C)(C)O1.
What is the InChIKey of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol?
The InChIKey is JOALSRCTGGEONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10(15)8-11-6-4-5-7-12(11)13-9-16-14(2,3)17-13/h4-7,10,13,15H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol?
1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117345071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).